Geometry & MOs

Info

ID:	307018
PubChem CID:	125264665
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	44.45
Dipole, Da:	3.93
IP(EA), eV:	-9.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3aR,6aR)-5-oxo-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CN([C@@H]2[C@H]1N(C(=O)C2)CC3=CN=CC=C3)CC4=CC(=CC=C4)C#N

DOS

IR

Vibrations